SCHEMBL1950502

SCHEMBL1950502

CN1CCN(CCCN(C(=O)O)c2cccc(Cn3nc(-c4cc(F)c(F)c(F)c4)ccc3=O)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.45
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2468866 0.95 MET (0.43) METTSHRALDH1A1L3MBTL1MEN1
SCHEMBL2466209 0.94 MET (0.46) METTSHRALDH1A1L3MBTL1USP2
SCHEMBL2469433 0.93 MET (0.44) METTSHRALDH1A1L3MBTL1USP2
SCHEMBL1953412 0.93 MET (0.53) MET
SCHEMBL2466179 0.91 MET (0.56) METTSHRALDH1A1L3MBTL1USP2
SCHEMBL2472186 0.90 MET (0.52) MET
Formic Acid SCHEMBL1949906 0.88 MET (0.37) METTSHRALDH1A1L3MBTL1
SCHEMBL2466028 0.88 MET (0.45) METTSHRALDH1A1L3MBTL1USP2
SCHEMBL2472162 0.88 MET (0.52) METTSHRALDH1A1L3MBTL1MEN1
SCHEMBL2468137 0.87 MET (0.53) MET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960370-B1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2011-10-05 EP claimed
US-20110136819-A1 6-THIOXOPYRIDAZINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2011-06-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110136819-A1 6-THIOXOPYRIDAZINE DERIVATIVES RET, ABL1, JAK2 MET 4/4885TSHR 173/4885ALDH1A1 441/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.